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(1R,2R)-2-((E)-3-(phenylthio)allyl)-1-((phenylthio)methyl)cyclohexanol
SpectraBase Compound ID CobSTK2vwZi
InChI InChI=1S/C22H26OS2/c23-22(18-25-21-14-5-2-6-15-21)16-8-7-10-19(22)11-9-17-24-20-12-3-1-4-13-20/h1-6,9,12-15,17,19,23H,7-8,10-11,16,18H2/b17-9+/t19-,22+/m1/s1
InChIKey JXWBOIBCBPDKRL-KIWRJBBCSA-N
Mol Weight 370.57 g/mol
Molecular Formula C22H26OS2
Exact Mass 370.142508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElrOVwWcEqo
Name (1R,2R)-2-((E)-3-(phenylthio)allyl)-1-((phenylthio)methyl)cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26OS2
InChI InChI=1S/C22H26OS2/c23-22(18-25-21-14-5-2-6-15-21)16-8-7-10-19(22)11-9-17-24-20-12-3-1-4-13-20/h1-6,9,12-15,17,19,23H,7-8,10-11,16,18H2/b17-9+/t19-,22+/m1/s1
InChIKey JXWBOIBCBPDKRL-KIWRJBBCSA-N
Literature Reference DOI 10.1021/ol901818j
Molecular Weight 370.569 g/mol
SMILES O[C@@]1(CSc2ccccc2)[C@@](C\C=C\Sc2ccccc2)(CCCC1)[H]
SPLASH splash10-000b-0930000000-72e463ecc3a0a5ff7927
Source of Spectrum A1-11-4576/SMS4-8b
Wiley ID 1757486